2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

C19H17BrN2O — CID 46786462

IUPAC2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
SMILESNc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1.[Br-]
InChIInChI=1S/C19H16N2O.BrH/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-13,20H,14H2;1H
InChIKeyPBRDXTQZSCUXIL-UHFFFAOYSA-N
MW369.26 g/mol
LogP0.11
Rot. Bonds4

About 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide (PubChem CID 46786462) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide.

Molecular Properties

Compound Name2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
PubChem CID46786462
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
SMILESNc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1.[Br-]
InChIInChI=1S/C19H16N2O.BrH/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-13,20H,14H2;1H
InChIKeyPBRDXTQZSCUXIL-UHFFFAOYSA-N
XLogP0.11
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
CID 44723848
1-(4-aminophenyl)-2-pyridin-1-ium-1-ylethanone;chloride;hydrochloride
CID 22715291
2-(4-aminopyridin-1-ium-1-yl)-1-(4-fluorophenyl)ethanone
CID 174231210
tris(1-phenyl-2-pyridin-1-ium-1-ylethanone);tribromide
CID 174706488
1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone bromide
CID 44783997
2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
CID 2828884
2-amino-1-(1-phenacylpyridin-1-ium-4-yl)ethanone
CID 170860195
azane;1-phenyl-2-pyridin-1-ium-1-ylethanone
CID 175247210
1-(4-bromophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide
CID 45046136
1-(4-iodophenyl)-2-pyridin-1-ium-1-ylethanone bromide
CID 20506526
2-[4-(4-methylphenyl)pyrimidin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone;hydrobromide
CID 126958246
1-(4-chlorophenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone
CID 4140586

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide?
The IUPAC name of 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide (CID 46786462) is 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide.
What is the SMILES notation for 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide?
The canonical SMILES for 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide is Nc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1.[Br-].
What is the InChIKey of 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide?
The InChIKey is PBRDXTQZSCUXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O.BrH/c20-18-10-12-21(13-11-18)14-19(22)17-8-6-16(7-9-17)15-4-2-1-3-5-15;/h1-13,20H,14H2;1H.
What are the key properties of 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide?
2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide has a molecular weight of 369.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide is sourced from PubChem (CID 46786462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).